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  1. ALA4578881

    Name:
    4,5-dibromo-3-methyl-1-(piperazin-1-yl)-7,8-dihydr
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    Cas Number:
    1609452-30-3

    Mol. Formula:
    C15H19Br2ClN4

    M.W.:
    450.61

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    33.09

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  2. ALA4578440

    Name:
    (6-fluoro-4-(piperidin-1-yl)quinolin-3-yl)(4-metho
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    Mol. Formula:
    C22H21FN2O2

    M.W.:
    364.42

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    42.43

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. ALA4780260

    Name:
    4-(9-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido
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    Mol. Formula:
    C27H18ClF3N6O4

    M.W.:
    582.93

    Type:
    Unknown

    AlogP:
    6.24

    Polar Surface Area:
    125.55

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA4779550

    Name:
    1-(2-fluoroethyl)-4,4-dimethyl-1,4-dihydropyrrolo[
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    Mol. Formula:
    C15H16FN3O2

    M.W.:
    289.31

    Type:
    Unknown

    AlogP:
    2.25

    Polar Surface Area:
    70.14

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  5. ALA4777657

    Name:
    1-[10-(2-Amino-pyridin-4-yl)-11-oxo-10,11-dihydro-
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    Mol. Formula:
    C25H16ClF3N6O3

    M.W.:
    540.89

    Type:
    Unknown

    AlogP:
    6.46

    Polar Surface Area:
    122.47

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  6. ALA4784797

    Name:
    1-(11-Oxo-10-pyridin-4-ylmethyl-10,11-dihydro-5-ox
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    Mol. Formula:
    C25H19N5O3

    M.W.:
    437.46

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    96.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA4784034

    Name:
    1-(11-Oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
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    Mol. Formula:
    C21H19N5O3

    M.W.:
    389.42

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    96.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  8. ALA4782031

    Name:
    N-(11-oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
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    Mol. Formula:
    C25H18N4O3

    M.W.:
    422.44

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    84.42

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  9. ALA4781614

    Name:
    N-(5-oxo-6-(pyridin-4-yl)-5,6-dihydrobenzo[b]pyrid
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    Mol. Formula:
    C24H16N4O3

    M.W.:
    408.42

    Type:
    Unknown

    AlogP:
    4.81

    Polar Surface Area:
    84.42

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA4796082

    Name:
    1-(10-Furan-3-yl-11-oxo-10,11-dihydro-5-oxa-4,10-d
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    Mol. Formula:
    C23H16N4O4

    M.W.:
    412.41

    Type:
    Unknown

    AlogP:
    5.40

    Polar Surface Area:
    96.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA4795220

    Name:
    1-(2-methoxyethyl)-4,4-dimethyl-1,4-dihydropyrrolo
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    Mol. Formula:
    C16H19N3O3

    M.W.:
    301.35

    Type:
    Unknown

    AlogP:
    1.92

    Polar Surface Area:
    79.37

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  12. ALA4795034

    Name:
    N-(11-oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
    Show More

    Mol. Formula:
    C24H16N4O5S

    M.W.:
    472.48

    Type:
    Unknown

    AlogP:
    4.57

    Polar Surface Area:
    118.56

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA4794940

    Name:
    2-Hydroxy-2-methyl-N-(11-oxo-10-pyridin-4-yl-10,11
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    Mol. Formula:
    C21H18N4O4

    M.W.:
    390.40

    Type:
    Unknown

    AlogP:
    3.27

    Polar Surface Area:
    104.65

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  14. ALA4793909

    Name:
    (3S,5S,8R,9S,10S,13S,14S)-17-(isoquinolin-7-yl)-N,
    Show More

    Mol. Formula:
    C30H40N2

    M.W.:
    428.66

    Type:
    Unknown

    AlogP:
    7.20

    Polar Surface Area:
    16.13

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  15. ALA4792974

    Name:
    1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(5-oxo-6-
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    Mol. Formula:
    C25H15ClF3N5O3

    M.W.:
    525.87

    Type:
    Unknown

    AlogP:
    6.88

    Polar Surface Area:
    96.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  16. ALA4791801

    Name:
    1-(11-Oxo-10-pyridin-4-yl-10,11-dihydro-dibenzo[b,
    Show More

    Mol. Formula:
    C25H18N4O3

    M.W.:
    422.44

    Type:
    Unknown

    AlogP:
    5.81

    Polar Surface Area:
    83.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA4791276

    Name:
    1-ethyl-4,4-dimethyl-1,4-dihydropyrrolo[2',3':4,5]
    Show More

    Mol. Formula:
    C15H17N3O2

    M.W.:
    271.32

    Type:
    Unknown

    AlogP:
    2.30

    Polar Surface Area:
    70.14

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  18. ALA4788035

    Name:
    1-(11-oxo-10-pyridin-4-yl-10,11-dihydro-5-oxa-4,10
    Show More

    Mol. Formula:
    C24H17N5O3

    M.W.:
    423.43

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    96.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA4786883

    Name:
    3,3,3-Trifluoro-2-hydroxy-2-methyl-N-(11-oxo-10-py
    Show More

    Mol. Formula:
    C21H15F3N4O4

    M.W.:
    444.37

    Type:
    Unknown

    AlogP:
    3.81

    Polar Surface Area:
    104.65

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  20. ALA4786534

    Name:
    1-(11-Oxo-10-pyridin-3-yl-10,11-dihydro-5-oxa-4,10
    Show More

    Mol. Formula:
    C24H17N5O3

    M.W.:
    423.43

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    96.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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